N-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide

C19H17N7O2 — CID 156585178

IUPACN-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(-c2[nH]ncc2C(=O)Nc2nc3nccc(C4CC4)n3n2)c1
InChIInChI=1S/C19H17N7O2/c1-28-13-4-2-3-12(9-13)16-14(10-21-24-16)17(27)22-18-23-19-20-8-7-15(11-5-6-11)26(19)25-18/h2-4,7-11H,5-6H2,1H3,(H,21,24)(H,22,25,27)
InChIKeyCPMVFNJLVDXZKO-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.65
Rot. Bonds5

About N-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide

N-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 156585178) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID156585178
Molecular FormulaC19H17N7O2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC NameN-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(-c2[nH]ncc2C(=O)Nc2nc3nccc(C4CC4)n3n2)c1
InChIInChI=1S/C19H17N7O2/c1-28-13-4-2-3-12(9-13)16-14(10-21-24-16)17(27)22-18-23-19-20-8-7-15(11-5-6-11)26(19)25-18/h2-4,7-11H,5-6H2,1H3,(H,21,24)(H,22,25,27)
InChIKeyCPMVFNJLVDXZKO-UHFFFAOYSA-N
XLogP2.65
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4-aminopiperidin-1-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 139023916
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 97146603
5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824377
[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 70780400
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97145858
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97145859
5-(3-methoxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-4-carboxamide
CID 97117950
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 74236610
5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17487935
(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 56744449
5-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824347
[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 56872933

Frequently Asked Questions

What is the IUPAC name of N-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide (CID 156585178) is N-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide is COc1cccc(-c2[nH]ncc2C(=O)Nc2nc3nccc(C4CC4)n3n2)c1.
What is the InChIKey of N-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is CPMVFNJLVDXZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2/c1-28-13-4-2-3-12(9-13)16-14(10-21-24-16)17(27)22-18-23-19-20-8-7-15(11-5-6-11)26(19)25-18/h2-4,7-11H,5-6H2,1H3,(H,21,24)(H,22,25,27).
What are the key properties of N-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide?
N-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 156585178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).